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Collection's Items (Sorted by Submit Date in Descending order): 781 to 800 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF711_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67078716; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF715_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67089966; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF720_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67005531; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF721_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67100068; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67591814; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF748_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67022304; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF754_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67068850; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67607609; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF93_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67371292; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67494933; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF96_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67364431; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF98_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67616719; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69515235; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69521407; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF100_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69634610; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69635634; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF103_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69681581; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69653275; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF105_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69662719; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69665804; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 781 to 800 of 6276
